8011-9876 Screening compound: 11-(3-fluorophenyl)-3-(4-methoxyphenyl)-10-(2,2,2-trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

8011-9876 Screening compound: 11-(3-fluorophenyl)-3-(4-methoxyphenyl)-10-(2,2,2-trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
8011-9876 Screening compound: 11-(3-fluorophenyl)-3-(4-methoxyphenyl)-10-(2,2,2-trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-9876
11-(3-fluorophenyl)-3-(4-methoxyphenyl)-10-(2,2,2-trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8011-9876

Molecular Formula

C28H22F4N2O3 (C28 H22 F4 N2 O3)

Compound Name

11-(3-fluorophenyl)-3-(4-methoxyphenyl)-10-(2,2,2-trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

IUPAC name

10-(3-fluorophenyl)-14-(4-methoxyphenyl)-9-(222-trifluoroacetyl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

COc1ccc(C(C2)CC(Nc(cccc3)c3N(C3c4cccc(F)c4)C(C(F)(F)F)=O)=C3C2=O)cc1

InChI

InChI=1S/C28H22F4N2O3/c1-37-20-11-9-16(10-12-20)18-14-22-25(24(35)15-18)26(17-5-4-6-19(29)13-17)34(27(36)28(30,31)32)23-8-3-2-7-21(23)33-22/h2-13,18,26,33H,14-15H2,1H3

InChI Key

CKZBFZYZUNEYFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02375479

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.050

Distribution Coefficient, logD

5.730

Water Solubility, LogSw

-5.51

Polar Surface Area

46.708

Acid Dissociation Constant (pKa)

7.36

Base Dissociation Constant (pKb)

-2.92

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

21.43

References: we are preparing a list of scientific research reports with 8011-9876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-9876?
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What is the minimum amount of 8011-9876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-9876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-9876
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8011-9876 available by request